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Towards Experimental Handbooks in Catalysis

MPS-Authors
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Trunschke,  Annette
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Bellini,  Giulia
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons251785

Boniface,  Maxime
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons227633

Carey,  Spencer
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons251783

Dong,  Jinhu
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Erdem,  Ezgi
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;
UniCat-BASF Joint Lab, Technische Universität Berlin, Sekr. EW K 01;

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Foppa,  Lucas
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21518

Frandsen,  Wiebke
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21549

Ghiringhelli,  Luca M.
NOMAD, Fritz Haber Institute, Max Planck Society;

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Girgsdies,  Frank
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Hanna,  Rania
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Hashagen,  Maike
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Hävecker,  Michael
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;
Max-Planck-Institut für Chemische Energiekonversion;

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Huff,  Gregory
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Knop-Gericke,  Axel
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;
Max-Planck-Institut für Chemische Energiekonversion;

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Koch,  Gregor
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Kraus,  Peter
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Kröhnert,  Jutta
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Kube,  Pierre
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Lunkenbein,  Thomas
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Masliuk,  Liudmyla
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Omojola,  Toyin
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Pratsch,  Christoph
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Richter,  Sven
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Rohner,  Christian
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Scheffler,  Matthias
NOMAD, Fritz Haber Institute, Max Planck Society;

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Schlögl,  Robert
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;
Max-Planck-Institut für Chemische Energiekonversion;

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Tarasov,  Andrey
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Timpe,  Olaf
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Wang,  Yuanqing
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;
UniCat-BASF Joint Lab, Technische Universität Berlin, Sekr. EW K 01;

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Wrabetz,  Sabine
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Citation

Trunschke, A., Bellini, G., Boniface, M., Carey, S., Dong, J., Erdem, E., et al. (2020). Towards Experimental Handbooks in Catalysis. Topics in Catalysis, 63(19-20), 1683-1699. doi:10.1007/s11244-020-01380-2.


Cite as: http://hdl.handle.net/21.11116/0000-0007-4265-D
Abstract
The “Seven Pillars” of oxidation catalysis proposed by Robert K. Grasselli represent an early example of phenomenological descriptors in the field of heterogeneous catalysis. Major advances in the theoretical description of catalytic reactions have been achieved in recent years and new catalysts are predicted today by using computational methods. To tackle the immense complexity of high-performance systems in reactions where selectivity is a major issue, analysis of scientific data by artificial intelligence and data science provides new opportunities for achieving improved understanding. Modern data analytics require data of highest quality and sufficient diversity. Existing data, however, frequently do not comply with these constraints. Therefore, new concepts of data generation and management are needed. Herein we present a basic approach in defining best practice procedures of measuring consistent data sets in heterogeneous catalysis using “handbooks”. Selective oxidation of short-chain alkanes over mixed metal oxide catalysts was selected as an example.